Information card for entry 4113961

Structure parameters

• Formula: C58 H48
• Calculated formula: C58 H48
• SMILES: CC1(CC2(C)c3ccccc3c3ccccc23)c2ccccc2c2ccccc12.CC1(CC2(C)c3ccccc3c3ccccc23)c2ccccc2c2ccccc12
• Title of publication: Synthesis, Structure, and Evaluation of the Effect of Multiple Stacking on the Electron-Donor Properties of π-Stacked Polyfluorenes
• Authors of publication: Rajendra Rathore; Sameh H. Abdelwahed; Ilia A. Guzei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 8712 - 8713
• a: 15.5455 ± 0.0015 Å
• b: 16.0998 ± 0.0016 Å
• c: 17.0201 ± 0.0017 Å
• α: 90°
• β: 107.628 ± 0.002°
• γ: 90°
• Cell volume: 4059.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No